methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate

C17H17FN2O4 — CID 87025785

IUPACmethyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(F)c2)c1
InChIInChI=1S/C17H17FN2O4/c1-11(24-15-8-3-5-12(18)9-15)16(21)19-13-6-4-7-14(10-13)20-17(22)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyIQZNNXDXCKVRRK-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.41
Rot. Bonds5

About methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate

methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate (PubChem CID 87025785) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
PubChem CID87025785
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Namemethyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(F)c2)c1
InChIInChI=1S/C17H17FN2O4/c1-11(24-15-8-3-5-12(18)9-15)16(21)19-13-6-4-7-14(10-13)20-17(22)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyIQZNNXDXCKVRRK-UHFFFAOYSA-N
XLogP3.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
methyl N-[4-[1-(3-iodoanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522538
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
N-(3-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133161949
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate (CID 87025785) is methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(F)c2)c1.
What is the InChIKey of methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate?
The InChIKey is IQZNNXDXCKVRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-11(24-15-8-3-5-12(18)9-15)16(21)19-13-6-4-7-14(10-13)20-17(22)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate?
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate has a molecular weight of 332.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 87025785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).